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SMILES: CC(C)Nc1nc(ncc1-c1nnc(s1)C(=O)N1CC[C@@H](O)C1)-c1cccc(c1)-c1cnn(C)c1

InChI Key: InChIKey=IUQPAZJLTWMNOZ-GOSISDBHSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 347810   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM347810
PNG
(US9790221, Compound 16)
Show SMILES CC(C)Nc1nc(ncc1-c1nnc(s1)C(=O)N1CC[C@@H](O)C1)-c1cccc(c1)-c1cnn(C)c1 |r|
Show InChI InChI=1S/C24H26N8O2S/c1-14(2)27-21-19(22-29-30-23(35-22)24(34)32-8-7-18(33)13-32)11-25-20(28-21)16-6-4-5-15(9-16)17-10-26-31(3)12-17/h4-6,9-12,14,18,33H,7-8,13H2,1-3H3,(H,25,27,28)/t18-/m1/s1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712). IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine...


US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 [194-712]


(Homo sapiens (Human))
BDBM347810
PNG
(US9790221, Compound 16)
Show SMILES CC(C)Nc1nc(ncc1-c1nnc(s1)C(=O)N1CC[C@@H](O)C1)-c1cccc(c1)-c1cnn(C)c1 |r|
Show InChI InChI=1S/C24H26N8O2S/c1-14(2)27-21-19(22-29-30-23(35-22)24(34)32-8-7-18(33)13-32)11-25-20(28-21)16-6-4-5-15(9-16)17-10-26-31(3)12-17/h4-6,9-12,14,18,33H,7-8,13H2,1-3H3,(H,25,27,28)/t18-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 550n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712)). In this assay, IRAK-1 hydrolyses ATP and autophosphorylates. Measurement of I...


US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair